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Bromine in PDB 3etg: Glutamate Dehydrogenase Complexed with GW5074

Protein crystallography data

The structure of Glutamate Dehydrogenase Complexed with GW5074, PDB code: 3etg was solved by M.Li, T.J.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 122.300, 102.200, 167.700, 90.00, 102.50, 90.00
R / Rfree (%) 24.4 / 25.8

Other elements in 3etg:

The structure of Glutamate Dehydrogenase Complexed with GW5074 also contains other interesting chemical elements:

Iodine (I) 6 atoms

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Bromine atom in the Glutamate Dehydrogenase Complexed with GW5074 (pdb code 3etg). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 12 binding sites of Bromine where determined in the Glutamate Dehydrogenase Complexed with GW5074, PDB code: 3etg:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 12 in 3etg

Go back to Bromine Binding Sites List in 3etg
Bromine binding site 1 out of 12 in the Glutamate Dehydrogenase Complexed with GW5074


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Glutamate Dehydrogenase Complexed with GW5074 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br552

b:0.2
occ:1.00
 BRAC A:GWD552 0.0 0.2 1.0
CAO A:GWD552 1.9 0.3 1.0
CAH A:GWD552 2.9 0.7 1.0
CAM A:GWD552 2.9 0.8 1.0
OAB A:GWD552 3.0 0.5 1.0
CG A:MET150 3.5 46.2 1.0
NAL E:GWD552 3.5 90.2 1.0
CB A:MET150 3.7 40.1 1.0
CD A:ARG147 3.8 45.5 1.0
CAR E:GWD552 3.9 90.6 1.0
OAA E:GWD552 3.9 88.8 1.0
CAP A:GWD552 4.2 0.2 1.0
CAQ A:GWD552 4.2 98.2 1.0
CAT E:GWD552 4.2 93.7 1.0
NE A:ARG147 4.5 50.8 1.0
SD A:MET150 4.5 55.8 1.0
CB E:SER185 4.7 46.0 1.0
CAI A:GWD552 4.7 0.5 1.0
CAS E:GWD552 4.7 93.2 1.0
CAJ E:GWD552 4.7 96.1 1.0
CA A:ARG147 4.8 37.0 1.0
CAU E:GWD552 4.9 97.5 1.0
NH1 A:ARG147 4.9 52.9 1.0
CZ A:ARG147 4.9 53.0 1.0

Bromine binding site 2 out of 12 in 3etg

Go back to Bromine Binding Sites List in 3etg
Bromine binding site 2 out of 12 in the Glutamate Dehydrogenase Complexed with GW5074


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Glutamate Dehydrogenase Complexed with GW5074 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br552

b:0.3
occ:1.00
 BRAD A:GWD552 0.0 0.3 1.0
CAP A:GWD552 1.9 0.2 1.0
CAM A:GWD552 2.9 0.8 1.0
CAI A:GWD552 2.9 0.5 1.0
OAB A:GWD552 3.1 0.5 1.0
CAO A:GWD552 4.2 0.3 1.0
CAQ A:GWD552 4.2 98.2 1.0
CA A:LYS143 4.2 44.1 1.0
O A:LYS143 4.2 42.6 1.0
CB A:LYS143 4.3 46.1 1.0
CAK A:GWD552 4.3 0.2 1.0
CAN E:GWD552 4.4 0.6 1.0
IAE A:GWD552 4.4 0.8 1.0
CG A:LYS143 4.5 49.2 1.0
CAG E:GWD552 4.5 0.1 1.0
CAH A:GWD552 4.7 0.7 1.0
C A:LYS143 4.7 42.8 1.0
CAK E:GWD552 4.8 0.6 1.0
CD A:LYS143 4.8 51.4 1.0
CB A:ARG147 4.9 38.3 1.0
IAE E:GWD552 4.9 0.6 1.0
CAN A:GWD552 4.9 0.9 1.0
CAJ E:GWD552 4.9 96.1 1.0

Bromine binding site 3 out of 12 in 3etg

Go back to Bromine Binding Sites List in 3etg
Bromine binding site 3 out of 12 in the Glutamate Dehydrogenase Complexed with GW5074


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Glutamate Dehydrogenase Complexed with GW5074 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br552

b:0.2
occ:1.00
 BRAC B:GWD552 0.0 0.2 1.0
CAO B:GWD552 1.9 0.4 1.0
CAM B:GWD552 2.9 0.5 1.0
CAH B:GWD552 2.9 0.1 1.0
OAB B:GWD552 3.0 0.3 1.0
OAA C:GWD552 3.4 83.9 1.0
CG B:MET150 3.6 46.1 1.0
CB B:MET150 3.7 39.5 1.0
CD B:ARG147 3.7 45.0 1.0
CAR C:GWD552 3.8 88.3 1.0
NAL C:GWD552 3.8 88.5 1.0
CAP B:GWD552 4.2 1.0 1.0
CAQ B:GWD552 4.2 97.4 1.0
NE B:ARG147 4.2 49.7 1.0
CB C:SER185 4.4 41.4 1.0
CZ B:ARG147 4.6 52.9 1.0
NH1 B:ARG147 4.6 54.1 1.0
SD B:MET150 4.7 51.1 1.0
CAI B:GWD552 4.7 0.8 1.0
CAS C:GWD552 4.7 91.6 1.0
CAT C:GWD552 4.8 92.7 1.0
OG C:SER185 4.8 46.4 1.0
O C:SER185 4.9 44.6 1.0
CA B:ARG147 4.9 35.0 1.0

Bromine binding site 4 out of 12 in 3etg

Go back to Bromine Binding Sites List in 3etg
Bromine binding site 4 out of 12 in the Glutamate Dehydrogenase Complexed with GW5074


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Glutamate Dehydrogenase Complexed with GW5074 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br552

b:0.3
occ:1.00
 BRAD B:GWD552 0.0 0.3 1.0
CAP B:GWD552 1.9 1.0 1.0
CAM B:GWD552 2.9 0.5 1.0
CAI B:GWD552 2.9 0.8 1.0
OAB B:GWD552 3.1 0.3 1.0
CAO B:GWD552 4.2 0.4 1.0
CAQ B:GWD552 4.2 97.4 1.0
O B:LYS143 4.3 42.2 1.0
CAK B:GWD552 4.4 0.9 1.0
IAE B:GWD552 4.4 0.1 1.0
CA B:LYS143 4.5 43.5 1.0
CAG C:GWD552 4.5 0.9 1.0
CB B:LYS143 4.5 45.4 1.0
CAJ C:GWD552 4.6 95.1 1.0
CAN C:GWD552 4.6 0.3 1.0
CAH B:GWD552 4.7 0.1 1.0
CB B:ARG147 4.7 36.2 1.0
CG B:LYS143 4.7 49.7 1.0
CAT C:GWD552 4.7 92.7 1.0
CAK C:GWD552 4.8 0.3 1.0
CAU C:GWD552 4.8 96.5 1.0
C B:LYS143 4.8 42.0 1.0
CAN B:GWD552 5.0 0.8 1.0
CD B:LYS143 5.0 52.3 1.0

Bromine binding site 5 out of 12 in 3etg

Go back to Bromine Binding Sites List in 3etg
Bromine binding site 5 out of 12 in the Glutamate Dehydrogenase Complexed with GW5074


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Glutamate Dehydrogenase Complexed with GW5074 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br552

b:0.8
occ:1.00
 BRAC C:GWD552 0.0 0.8 1.0
CAO C:GWD552 1.9 0.4 1.0
CAM C:GWD552 2.9 0.5 1.0
CAH C:GWD552 2.9 0.6 1.0
OAB C:GWD552 3.0 0.9 1.0
OAA B:GWD552 3.4 85.5 1.0
CG C:MET150 3.4 44.9 1.0
CAR B:GWD552 3.7 89.3 1.0
NAL B:GWD552 3.7 89.2 1.0
CB C:MET150 3.7 39.3 1.0
CAP C:GWD552 4.2 0.3 1.0
CB B:SER185 4.2 45.0 1.0
CAQ C:GWD552 4.2 97.0 1.0
CD C:ARG147 4.3 43.1 1.0
SD C:MET150 4.3 53.6 1.0
CAT B:GWD552 4.6 92.8 1.0
O B:SER185 4.7 44.7 1.0
CAS B:GWD552 4.7 92.4 1.0
CAI C:GWD552 4.7 0.1 1.0
OG B:SER185 4.7 49.9 1.0
NE C:ARG147 4.8 47.4 1.0

Bromine binding site 6 out of 12 in 3etg

Go back to Bromine Binding Sites List in 3etg
Bromine binding site 6 out of 12 in the Glutamate Dehydrogenase Complexed with GW5074


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Glutamate Dehydrogenase Complexed with GW5074 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br552

b:0.6
occ:1.00
 BRAD C:GWD552 0.0 0.6 1.0
CAP C:GWD552 1.9 0.3 1.0
CAM C:GWD552 2.8 0.5 1.0
CAI C:GWD552 2.9 0.1 1.0
OAB C:GWD552 3.0 0.9 1.0
O C:LYS143 4.1 40.8 1.0
CAO C:GWD552 4.1 0.4 1.0
CAQ C:GWD552 4.2 97.0 1.0
CA C:LYS143 4.4 43.0 1.0
CAK C:GWD552 4.4 0.3 1.0
CAG B:GWD552 4.4 1.0 1.0
IAE C:GWD552 4.5 0.6 1.0
CAJ B:GWD552 4.5 95.0 1.0
CAN B:GWD552 4.5 0.8 1.0
CB C:LYS143 4.6 46.0 1.0
CB C:ARG147 4.6 34.8 1.0
CAH C:GWD552 4.7 0.6 1.0
C C:LYS143 4.7 40.6 1.0
CAK B:GWD552 4.7 0.9 1.0
CAT B:GWD552 4.7 92.8 1.0
CB C:ARG146 4.8 32.5 1.0
N C:ARG147 4.8 32.4 1.0
CAU B:GWD552 4.8 96.4 1.0
CG C:LYS143 4.9 49.3 1.0
CA C:ARG147 5.0 34.0 1.0
CAN C:GWD552 5.0 0.3 1.0

Bromine binding site 7 out of 12 in 3etg

Go back to Bromine Binding Sites List in 3etg
Bromine binding site 7 out of 12 in the Glutamate Dehydrogenase Complexed with GW5074


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Glutamate Dehydrogenase Complexed with GW5074 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br552

b:0.1
occ:1.00
 BRAC D:GWD552 0.0 0.1 1.0
CAO D:GWD552 1.9 0.8 1.0
CAH D:GWD552 2.9 1.0 1.0
CAM D:GWD552 2.9 0.6 1.0
OAB D:GWD552 3.1 0.3 1.0
CD D:ARG147 3.2 46.4 1.0
NE D:ARG147 3.6 49.8 1.0
NAL F:GWD552 3.7 88.2 1.0
NH1 D:ARG147 4.0 52.0 1.0
CZ D:ARG147 4.0 52.3 1.0
CB D:MET150 4.1 39.6 1.0
OAA F:GWD552 4.1 83.2 1.0
CAR F:GWD552 4.1 87.6 1.0
CAP D:GWD552 4.2 0.2 1.0
CAQ D:GWD552 4.2 97.6 1.0
CG D:MET150 4.2 46.7 1.0
CB F:SER185 4.4 45.0 1.0
CAT F:GWD552 4.5 91.7 1.0
CG D:ARG147 4.6 41.0 1.0
OG F:SER185 4.6 48.8 1.0
CAI D:GWD552 4.7 1.0 1.0
OE1 D:GLU151 4.7 48.5 1.0
CA D:ARG147 4.8 33.3 1.0
NH2 D:ARG147 4.9 52.2 1.0
CB D:ARG147 5.0 35.1 1.0

Bromine binding site 8 out of 12 in 3etg

Go back to Bromine Binding Sites List in 3etg
Bromine binding site 8 out of 12 in the Glutamate Dehydrogenase Complexed with GW5074


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Glutamate Dehydrogenase Complexed with GW5074 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br552

b:0.9
occ:1.00
 BRAD D:GWD552 0.0 0.9 1.0
CAP D:GWD552 1.9 0.2 1.0
CAM D:GWD552 2.9 0.6 1.0
CAI D:GWD552 2.9 1.0 1.0
OAB D:GWD552 3.0 0.3 1.0
CAG F:GWD552 4.1 0.3 1.0
CAO D:GWD552 4.2 0.8 1.0
CAQ D:GWD552 4.2 97.6 1.0
O D:LYS143 4.2 40.4 1.0
CA D:LYS143 4.3 41.1 1.0
CB D:LYS143 4.3 44.1 1.0
CAN F:GWD552 4.3 0.9 1.0
CAJ F:GWD552 4.4 94.4 1.0
CAK D:GWD552 4.4 0.8 1.0
IAE D:GWD552 4.5 0.9 1.0
CG D:LYS143 4.5 48.6 1.0
CB D:ARG147 4.6 35.1 1.0
C D:LYS143 4.7 40.7 1.0
CAH D:GWD552 4.7 1.0 1.0
CAK F:GWD552 4.7 0.7 1.0
CD D:LYS143 4.8 51.5 1.0
CAT F:GWD552 4.8 91.7 1.0
CAU F:GWD552 4.9 95.4 1.0
CAN D:GWD552 5.0 0.1 1.0

Bromine binding site 9 out of 12 in 3etg

Go back to Bromine Binding Sites List in 3etg
Bromine binding site 9 out of 12 in the Glutamate Dehydrogenase Complexed with GW5074


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Glutamate Dehydrogenase Complexed with GW5074 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br552

b:0.3
occ:1.00
 BRAC E:GWD552 0.0 0.3 1.0
CAO E:GWD552 1.9 0.6 1.0
CAM E:GWD552 2.9 0.8 1.0
CAH E:GWD552 2.9 0.5 1.0
OAB E:GWD552 3.1 0.5 1.0
CD E:ARG147 3.2 45.9 1.0
NE E:ARG147 3.7 51.1 1.0
OAA A:GWD552 3.7 85.7 1.0
NAL A:GWD552 3.8 90.7 1.0
NH1 E:ARG147 4.0 55.7 1.0
CAR A:GWD552 4.0 90.7 1.0
CZ E:ARG147 4.0 54.1 1.0
CB E:MET150 4.1 42.5 1.0
CAP E:GWD552 4.1 0.1 1.0
CG E:MET150 4.2 48.4 1.0
CAQ E:GWD552 4.2 97.7 1.0
CG E:ARG147 4.5 40.7 1.0
CAI E:GWD552 4.7 0.8 1.0
CA E:ARG147 4.7 36.4 1.0
CAT A:GWD552 4.7 93.7 1.0
CB A:SER185 4.8 43.7 1.0
CB E:ARG147 4.8 38.1 1.0
CAS A:GWD552 4.9 93.3 1.0
OE1 E:GLU151 4.9 46.4 1.0
OG A:SER185 5.0 48.3 1.0
NH2 E:ARG147 5.0 54.3 1.0

Bromine binding site 10 out of 12 in 3etg

Go back to Bromine Binding Sites List in 3etg
Bromine binding site 10 out of 12 in the Glutamate Dehydrogenase Complexed with GW5074


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Glutamate Dehydrogenase Complexed with GW5074 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br552

b:0.7
occ:1.00
 BRAD E:GWD552 0.0 0.7 1.0
CAP E:GWD552 1.9 0.1 1.0
CAM E:GWD552 2.8 0.8 1.0
CAI E:GWD552 2.9 0.8 1.0
OAB E:GWD552 3.0 0.5 1.0
CAO E:GWD552 4.2 0.6 1.0
CAQ E:GWD552 4.2 97.7 1.0
CA E:LYS143 4.2 46.0 1.0
O E:LYS143 4.3 44.3 1.0
CB E:LYS143 4.3 48.1 1.0
CAK E:GWD552 4.4 0.6 1.0
CAN A:GWD552 4.4 0.9 1.0
IAE E:GWD552 4.4 0.6 1.0
CG E:LYS143 4.4 51.8 1.0
CAG A:GWD552 4.4 0.1 1.0
CAK A:GWD552 4.5 0.2 1.0
CAJ A:GWD552 4.6 95.2 1.0
CAH E:GWD552 4.7 0.5 1.0
CAU A:GWD552 4.7 97.0 1.0
C E:LYS143 4.7 44.2 1.0
CAT A:GWD552 4.8 93.7 1.0
CD E:LYS143 4.8 53.9 1.0
CB E:ARG147 4.9 38.1 1.0
CAN E:GWD552 5.0 0.6 1.0

Reference:

M.Li, C.J.Smith, M.T.Walker, T.J.Smith. Novel Inhibitors Complexed with Glutamate Dehydrogenase: Allosteric Regulation By Control of Protein Dynamics J.Biol.Chem. V. 284 22988 2009.
ISSN: ISSN 0021-9258
PubMed: 19531491
DOI: 10.1074/JBC.M109.020222
Page generated: Wed Jul 10 19:29:52 2024

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